cyclohexyl (2R)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: cyclohexyl (2R)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: cyclohexyl (2R)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2R)-2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyanoacetic acid cyclohexyl ester IUPAC Name: cyclohexyl (2R)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2R)-2-[3-[4-(3-chlorophenyl)piperazino]quinoxalin-2-yl]-2-cyano-acetic acid cyclohexyl ester Formula: C27H28ClN5O2 MolecularWeight: 489.99652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H28ClN5O2/c28-19-7-6-8-20(17-19)32-13-15-33(16-14-32)26-25(30-23-11-4-5-12-24(23)31-26)22(18-29)27(34)35-21-9-2-1-3-10-21/h4-8,11-12,17,21-22H,1-3,9-10,13-16H2/t22-/m0/s1